CID 138707838

5-methoxy-2,3-dihydro-1lambda6,2-benzothiazole-1,1-dione

Structural Information

Molecular Formula
C8H9NO3S
SMILES
COC1=CC2=C(C=C1)S(=O)(=O)NC2
InChI
InChI=1S/C8H9NO3S/c1-12-7-2-3-8-6(4-7)5-9-13(8,10)11/h2-4,9H,5H2,1H3
InChIKey
QDDRPQASTIPLLZ-UHFFFAOYSA-N
Compound name
5-methoxy-2,3-dihydro-1,2-benzothiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

199.03032 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.037596 136.9
[M+Na]+ 222.019538 148.1
[M-H]- 198.023044 139.8
[M+NH4]+ 217.064143 160.0
[M+K]+ 237.993478 144.9
[M+H-H2O]+ 182.027580 132.6
[M+HCOO]- 244.028521 154.2
[M+CH3COO]- 258.044171 176.3
[M+Na-2H]- 220.004986 142.0
[M]+ 199.02977142 139.9
[M]- 199.03086858 139.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe